(2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol

C14H18O5 — CID 24792169

IUPAC(2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol
SMILESOCC[C@@H]1C[C@H](O)[C@@H](O)[C@]2(Cc3ccccc3O2)O1
InChIInChI=1S/C14H18O5/c15-6-5-10-7-11(16)13(17)14(18-10)8-9-3-1-2-4-12(9)19-14/h1-4,10-11,13,15-17H,5-8H2/t10-,11+,13-,14-/m1/s1
InChIKeyNEIOLTBJFIVTQK-ZMJPVWNMSA-N
MW266.29 g/mol
LogP0.21
Rot. Bonds2

About (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol

(2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol (PubChem CID 24792169) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol.

Molecular Properties

Compound Name(2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol
PubChem CID24792169
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol
SMILESOCC[C@@H]1C[C@H](O)[C@@H](O)[C@]2(Cc3ccccc3O2)O1
InChIInChI=1S/C14H18O5/c15-6-5-10-7-11(16)13(17)14(18-10)8-9-3-1-2-4-12(9)19-14/h1-4,10-11,13,15-17H,5-8H2/t10-,11+,13-,14-/m1/s1
InChIKeyNEIOLTBJFIVTQK-ZMJPVWNMSA-N
XLogP0.21
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol?
The IUPAC name of (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol (CID 24792169) is (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol.
What is the SMILES notation for (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol?
The canonical SMILES for (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol is OCC[C@@H]1C[C@H](O)[C@@H](O)[C@]2(Cc3ccccc3O2)O1.
What is the InChIKey of (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol?
The InChIKey is NEIOLTBJFIVTQK-ZMJPVWNMSA-N. The full InChI is InChI=1S/C14H18O5/c15-6-5-10-7-11(16)13(17)14(18-10)8-9-3-1-2-4-12(9)19-14/h1-4,10-11,13,15-17H,5-8H2/t10-,11+,13-,14-/m1/s1.
What are the key properties of (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol?
(2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol has a molecular weight of 266.29 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)spiro[3H-1-benzofuran-2,2'-oxane]-3',4'-diol is sourced from PubChem (CID 24792169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).